Geometry & MOs

Info

ID:	282427
PubChem CID:	103926392
Reduced:	NO3C14H19 (1)
Stoich.:	AB3C14D19 (1)
Weight, g/mol:	249.136493
ΔH_f, kcal/mol:	-138.67
Dipole, Da:	5.96
IP(EA), eV:	-9.91(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-3,3-dimethyl-2-[(3-methylbenzoyl)amino]butanoic acid

Drug info:

PubChemData

Smile

CC1=CC=CC=C1C(=O)N[C@@H](C(=O)O)C(C)(C)C

DOS

IR

Vibrations